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CHEBI:199095 - [(4aR,6R,7aS,7bR)-3,6,7b-trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl]methyl 6-oxooctadecanoate

ChEBI IDCHEBI:199095
ChEBI Name[(4aR,6R,7aS,7bR)-3,6,7b-trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl]methyl 6-oxooctadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O4
Net Charge0
Average Mass514.791
Monoisotopic Mass514.40221
SMILESCCCCCCCCCCCCC(=O)CCCCC(=O)OC[C@]1(C)C[C@H]2CC(C)=C3C(=O)C[C@]3(C)[C@H]2C1
InChIInChI=1S/C33H54O4/c1-5-6-7-8-9-10-11-12-13-14-17-27(34)18-15-16-19-30(36)37-24-32(3)21-26-20-25(2)31-29(35)23-33(31,4)28(26)22-32/h26,28H,5-24H2,1-4H3/t26-,28+,32-,33-/m1/s1
InChIKeyABJMSVJRUNONJS-PJNNDAMTSA-N
Species of MetaboliteComponentSourceComments
Lactarius violascens (ncbitaxon:858873) - DOI (10.1016/s0040-4039(98)00104-x)
ChEBI Ontology
Outgoing Relation(s)
[(4aR,6R,7aS,7bR)-3,6,7b-trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl]methyl 6-oxooctadecanoate (CHEBI:199095) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(4aR,6R,7aS,7bR)-3,6,7b-trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl]methyl 6-oxooctadecanoate
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